SCHEMBL28457387

SCHEMBL28457387

CCOC(=O)c1c(C)nc2cccc(OCCCNC(=O)c3ccccn3)c2c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28460807 0.90 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL28457013 0.88 TSHR (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL28451370 0.86 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL28455329 0.83 HCRTR1 (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL28460462 0.83 MCHR1 (0.46) SMN1; SMN2KMT2AMEN1NPC1MAPT
SCHEMBL28457133 0.82 HPGD (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL28455521 0.82 HPGD (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL28451331 0.82 HPGD (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL28449479 0.82 HPGD (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL28451356 0.82 MCHR1 (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106107406-B Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers 弗门尼舍公司 2020-06-09 — — CN disclosed
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